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首页> 外文期刊>Physica, B. Condensed Matter >Synthesis, crystal growth, structural, spectral and optical properties of tri-allylthiourea mercury bromide (ATMB) single crystals
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Synthesis, crystal growth, structural, spectral and optical properties of tri-allylthiourea mercury bromide (ATMB) single crystals

机译：三烯丙基硫脲溴化汞（ATMB）单晶的合成，晶体生长，结构，光谱和光学性质

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摘要

Metal-organic tri-allylthiourea mercury bromide (ATMB) is a new kind of double ligand complex single crystal. Incorporation of metals into NLO systems give a new dimension of study and introduce many new variables. Transfer of unlocalized electrons from the double ligand allylthiourea to the central metal ion (Hg~(2+)) through the sulphur atom display a large molecular hyperpolarizability. Experimental results show that the solubility of ATMB in aqueous solution is very low and also it is difficult to grow a large size crystal. Attempts were made to grow single crystals of ATMB by solution growth methods. Structural, spectral, optical and surface features of ATMB were studied with different characterization techniques. Trigonal crystal structure of the as-grown single crystals was identified from the powder X-ray diffraction. X-ray rocking curve contains a single sharp peak and indicates that the specimen is free from structural grain boundaries. Vibrational spectral analyses reveal that the metalligand coordination occur, only through sulphur and not with nitrogen by shifting the vibration frequencies of υ (NCN) to the higher and υ(C=S) to the lower values. ATMB has UV cut-off wavelength at 340 nm and there is no absorption up to 1500 nm which is more desirable for non-linear applications.
机译：金属有机三烯丙基硫脲溴化汞（ATMB）是一种新型的双配位体配合物单晶。将金属纳入NLO系统为研究提供了新的领域，并引入了许多新变量。非定位电子通过硫原子从双配体烯丙基硫脲到中心金属离子（Hg〜（2+））的转移显示出较大的分子超极化性。实验结果表明，ATMB在水溶液中的溶解度非常低，并且难以生长大尺寸的晶体。尝试通过溶液生长方法生长ATMB的单晶。用不同的表征技术研究了ATMB的结构，光谱，光学和表面特征。通过粉末X射线衍射鉴定所生长的单晶的三角晶体结构。 X射线摇摆曲线仅包含一个尖峰，表明样品没有结构晶界。振动光谱分析表明，通过将υ（NCN）的振动频率移至较高的值并将υ（C = S）的振动频率移至较低的值，金属配体仅通过硫发生，而不与氮发生。 ATMB在340 nm处具有UV截止波长，在1500 nm以下没有吸收，这对于非线性应用而言更为理想。

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